SCHEMBL4011979

SCHEMBL4011979

CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.52
CNR2 P34972 9/20 0.52
CNR1 P21554 6/20 0.52
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 1/20 0.41
EPHX2 P34913 1/20 0.41
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
GCGR P47871 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1619672 0.94 CNR2 (0.56) TRPV1CNR2CNR1NPC1SMN1; SMN2
SCHEMBL4009816 0.85 MAPT (0.54) CNR2CNR1NPC1SMN1; SMN2KDM4E
SCHEMBL1621245 0.85 CNR2 (0.54) CNR2CNR1NPC1SMN1; SMN2RAB9A
SCHEMBL4015482 0.83 CNR2 (0.43) TRPV1CNR2CNR1SMN1; SMN2KDM4E
SCHEMBL1621632 0.77 CNR2 (0.53) TRPV1CNR2CNR1LMNA
SCHEMBL1621889 0.77 CNR2 (0.53) CNR2CNR1MAPTEPHX2LMNA
SCHEMBL1621259 0.77 CNR2 (0.53) CNR2CNR1KDM4E
SCHEMBL1620082 0.76 CNR2 (0.52) CNR2CNR1NPC1SMN1; SMN2RAB9A
SCHEMBL15219082 0.75 HSD17B10 (0.49) TRPV1CNR2CNR1NPC1SMN1; SMN2
SCHEMBL1621040 0.74 CNR2 (0.64) TRPV1CNR2CNR1NPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed